-------------------------------------------------------------
----------------------- !PROPERTIES! ------------------------
-------------------------------------------------------------
# -----------------------------------------------------------
$ PAL_Flags
   description: The PAL Flags
   geom. index: 1
   prop. index: 1
        Diskflag:     2
# -----------------------------------------------------------
$ SCF_Energy
   description: The SCF energy
   geom. index: 1
   prop. index: 1
        SCF Energy:    -1171.2119366750
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 1
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.1184     6.0000    -0.1184     3.8795     3.8795    -0.0000
  1   0     6.1220     6.0000    -0.1220     3.9096     3.9096     0.0000
  2   0     6.1683     6.0000    -0.1683     3.9231     3.9231     0.0000
  3   0     6.1054     6.0000    -0.1054     3.8928     3.8928     0.0000
  4   0     6.2481     6.0000    -0.2481     3.9320     3.9320     0.0000
  5   0     0.9381     1.0000     0.0619     0.9799     0.9799     0.0000
  6   0     0.9160     1.0000     0.0840     0.9810     0.9810    -0.0000
  7   0     0.9157     1.0000     0.0843     0.9712     0.9712     0.0000
  8   0     0.9609     1.0000     0.0391     0.9867     0.9867    -0.0000
  9   0     0.9271     1.0000     0.0729     0.9842     0.9842    -0.0000
 10   0     0.9149     1.0000     0.0851     0.9716     0.9716     0.0000
 11   0     0.9241     1.0000     0.0759     0.9860     0.9860    -0.0000
 12   0     0.9123     1.0000     0.0877     0.9776     0.9776     0.0000
 13   0     0.9163     1.0000     0.0837     0.9714     0.9714     0.0000
 14   0     0.9161     1.0000     0.0839     0.9807     0.9807     0.0000
 15   0     6.1231     6.0000    -0.1231     3.8976     3.8976    -0.0000
 16   0     6.1850     6.0000    -0.1850     3.8837     3.8837    -0.0000
 17   0     6.1792     6.0000    -0.1792     3.8667     3.8667    -0.0000
 18   0     6.1354     6.0000    -0.1354     3.8885     3.8885    -0.0000
 19   0     6.1991     6.0000    -0.1991     3.8943     3.8943    -0.0000
 20   0     0.9078     1.0000     0.0922     0.9773     0.9773    -0.0000
 21   0     0.9242     1.0000     0.0758     0.9819     0.9819    -0.0000
 22   0     0.9211     1.0000     0.0789     0.9773     0.9773     0.0000
 23   0     0.9177     1.0000     0.0823     0.9749     0.9749    -0.0000
 24   0     0.9148     1.0000     0.0852     0.9746     0.9746     0.0000
 25   0     0.9189     1.0000     0.0811     0.9763     0.9763     0.0000
 26   0     0.9260     1.0000     0.0740     0.9741     0.9741    -0.0000
 27   0     0.9117     1.0000     0.0883     0.9787     0.9787    -0.0000
 28   0     0.9172     1.0000     0.0828     0.9751     0.9751     0.0000
 29   0     0.9177     1.0000     0.0823     0.9730     0.9730    -0.0000
 30   0     6.2415     6.0000    -0.2415     3.8797     3.8797    -0.0000
 31   0     6.1217     6.0000    -0.1217     3.9018     3.9018     0.0000
 32   0     6.1987     6.0000    -0.1987     3.9460     3.9460     0.0000
 33   0     6.1134     6.0000    -0.1134     3.8944     3.8944    -0.0000
 34   0     6.1702     6.0000    -0.1702     3.8913     3.8913    -0.0000
 35   0     0.9129     1.0000     0.0871     0.9712     0.9712    -0.0000
 36   0     0.9130     1.0000     0.0870     0.9729     0.9729    -0.0000
 37   0     0.9153     1.0000     0.0847     0.9823     0.9823     0.0000
 38   0     0.9102     1.0000     0.0898     0.9772     0.9772     0.0000
 39   0     0.9070     1.0000     0.0930     0.9759     0.9759    -0.0000
 40   0     0.9125     1.0000     0.0875     0.9749     0.9749     0.0000
 41   0     0.9119     1.0000     0.0881     0.9750     0.9750    -0.0000
 42   0     0.9269     1.0000     0.0731     0.9811     0.9811     0.0000
 43   0     0.9237     1.0000     0.0763     0.9791     0.9791    -0.0000
 44   0     0.9186     1.0000     0.0814     0.9784     0.9784     0.0000
 45   0     6.1244     6.0000    -0.1244     3.8879     3.8879    -0.0000
 46   0     6.1693     6.0000    -0.1693     3.8891     3.8891    -0.0000
 47   0     6.1495     6.0000    -0.1495     3.8882     3.8882    -0.0000
 48   0     6.1534     6.0000    -0.1534     3.8860     3.8860     0.0000
 49   0     6.1993     6.0000    -0.1993     3.9041     3.9041     0.0000
 50   0     0.9151     1.0000     0.0849     0.9761     0.9761     0.0000
 51   0     0.9347     1.0000     0.0653     0.9935     0.9935     0.0000
 52   0     0.9145     1.0000     0.0855     0.9789     0.9789    -0.0000
 53   0     0.9237     1.0000     0.0763     0.9707     0.9707     0.0000
 54   0     0.9222     1.0000     0.0778     0.9752     0.9752     0.0000
 55   0     0.9269     1.0000     0.0731     0.9737     0.9737    -0.0000
 56   0     0.9269     1.0000     0.0731     0.9735     0.9735    -0.0000
 57   0     0.9201     1.0000     0.0799     0.9812     0.9812     0.0000
 58   0     0.9023     1.0000     0.0977     0.9754     0.9754     0.0000
 59   0     0.9190     1.0000     0.0810     0.9724     0.9724     0.0000
 60   0     6.1751     6.0000    -0.1751     3.9084     3.9084     0.0000
 61   0     6.1710     6.0000    -0.1710     3.8896     3.8896    -0.0000
 62   0     6.1903     6.0000    -0.1903     3.8704     3.8704    -0.0000
 63   0     6.1640     6.0000    -0.1640     3.8756     3.8756     0.0000
 64   0     6.1220     6.0000    -0.1220     3.9070     3.9070    -0.0000
 65   0     0.9081     1.0000     0.0919     0.9724     0.9724     0.0000
 66   0     0.9207     1.0000     0.0793     0.9781     0.9781    -0.0000
 67   0     0.8964     1.0000     0.1036     0.9705     0.9705    -0.0000
 68   0     0.9251     1.0000     0.0749     0.9764     0.9764    -0.0000
 69   0     0.9257     1.0000     0.0743     0.9789     0.9789     0.0000
 70   0     0.9217     1.0000     0.0783     0.9694     0.9694    -0.0000
 71   0     0.9179     1.0000     0.0821     0.9728     0.9728     0.0000
 72   0     0.9256     1.0000     0.0744     0.9736     0.9736     0.0000
 73   0     0.9214     1.0000     0.0786     0.9782     0.9782    -0.0000
 74   0     0.9138     1.0000     0.0862     0.9798     0.9798     0.0000
 75   0     6.1704     6.0000    -0.1704     3.8790     3.8790    -0.0000
 76   0     6.1684     6.0000    -0.1684     3.8857     3.8857     0.0000
 77   0     6.1808     6.0000    -0.1808     3.8894     3.8894     0.0000
 78   0     6.1518     6.0000    -0.1518     3.8811     3.8811     0.0000
 79   0     6.1875     6.0000    -0.1875     3.9025     3.9025    -0.0000
 80   0     0.9151     1.0000     0.0849     0.9735     0.9735    -0.0000
 81   0     0.9177     1.0000     0.0823     0.9702     0.9702     0.0000
 82   0     0.9206     1.0000     0.0794     0.9740     0.9740     0.0000
 83   0     0.9041     1.0000     0.0959     0.9741     0.9741     0.0000
 84   0     0.9112     1.0000     0.0888     0.9757     0.9757     0.0000
 85   0     0.9083     1.0000     0.0917     0.9716     0.9716     0.0000
 86   0     0.9207     1.0000     0.0793     0.9734     0.9734     0.0000
 87   0     0.9137     1.0000     0.0863     0.9732     0.9732     0.0000
 88   0     0.9191     1.0000     0.0809     0.9719     0.9719    -0.0000
 89   0     0.9102     1.0000     0.0898     0.9729     0.9729    -0.0000
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.972636
                0             6               4            6                0.970432
                0             6               5            1                0.999496
                0             6               6            1                0.992151
                1             6               2            6                0.965119
                1             6               7            1                0.986461
                1             6               8            1                1.001314
                2             6               3            6                0.976844
                2             6               9            1                1.000864
                2             6              10            1                0.995600
                3             6               4            6                0.969540
                3             6              11            1                1.000467
                3             6              12            1                0.988527
                4             6              13            1                0.989097
                4             6              14            1                1.002858
               15             6              16            6                0.973139
               15             6              19            6                0.974386
               15             6              20            1                0.983565
               15             6              21            1                0.992350
               16             6              17            6                0.949484
               16             6              22            1                0.995673
               16             6              23            1                0.993784
               17             6              18            6                0.965695
               17             6              24            1                0.995897
               17             6              25            1                1.000270
               18             6              19            6                0.965429
               18             6              26            1                0.991573
               18             6              27            1                0.990065
               19             6              28            1                0.995769
               19             6              29            1                0.987970
               30             6              31            6                0.967031
               30             6              34            6                0.968410
               30             6              35            1                0.991547
               30             6              36            1                0.977923
               31             6              32            6                0.988771
               31             6              37            1                0.996289
               31             6              38            1                0.989282
               32             6              33            6                0.983705
               32             6              39            1                0.990260
               32             6              40            1                0.990812
               33             6              34            6                0.976471
               33             6              41            1                0.980787
               33             6              42            1                0.994643
               34             6              43            1                0.984407
               34             6              44            1                0.998192
               45             6              46            6                0.963591
               45             6              49            6                0.971011
               45             6              50            1                0.991945
               45             6              51            1                0.993237
               46             6              47            6                0.968567
               46             6              52            1                0.989747
               46             6              53            1                1.001664
               47             6              48            6                0.967801
               47             6              54            1                0.985471
               47             6              55            1                0.996995
               48             6              49            6                0.964802
               48             6              56            1                0.992503
               48             6              57            1                1.000405
               49             6              58            1                0.987713
               49             6              59            1                0.991977
               60             6              61            6                0.977784
               60             6              64            6                0.989321
               60             6              65            1                0.983650
               60             6              66            1                0.991475
               61             6              62            6                0.965294
               61             6              67            1                0.984334
               61             6              68            1                0.995319
               62             6              63            6                0.956961
               62             6              69            1                0.998376
               62             6              70            1                0.989018
               63             6              64            6                0.968338
               63             6              71            1                0.999442
               63             6              72            1                0.989934
               64             6              73            1                0.993370
               64             6              74            1                0.987686
               75             6              76            6                0.964225
               75             6              79            6                0.964309
               75             6              80            1                0.996844
               75             6              81            1                0.994930
               76             6              77            6                0.964719
               76             6              82            1                0.996343
               76             6              83            1                0.989357
               77             6              78            6                0.965871
               77             6              84            1                0.994174
               77             6              85            1                0.987578
               78             6              79            6                0.973818
               78             6              86            1                0.994851
               78             6              87            1                0.989537
               79             6              88            1                0.993743
               79             6              89            1                0.991965
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 2
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.1264     6.0000    -0.1264     3.9872     3.6624     0.3248
  1   0     6.1294     6.0000    -0.1294     4.0144     3.7000     0.3144
  2   0     6.1769     6.0000    -0.1769     4.0331     3.7156     0.3175
  3   0     6.1129     6.0000    -0.1129     3.9974     3.6838     0.3136
  4   0     6.2560     6.0000    -0.2560     4.0477     3.7096     0.3381
  5   0     0.9344     1.0000     0.0656     0.9902     0.9356     0.0546
  6   0     0.9122     1.0000     0.0878     0.9907     0.9374     0.0533
  7   0     0.9111     1.0000     0.0889     0.9802     0.9311     0.0491
  8   0     0.9578     1.0000     0.0422     0.9988     0.9438     0.0550
  9   0     0.9233     1.0000     0.0767     0.9942     0.9435     0.0507
 10   0     0.9107     1.0000     0.0893     0.9806     0.9286     0.0520
 11   0     0.9203     1.0000     0.0797     0.9955     0.9443     0.0512
 12   0     0.9084     1.0000     0.0916     0.9868     0.9358     0.0510
 13   0     0.9125     1.0000     0.0875     0.9808     0.9242     0.0566
 14   0     0.9120     1.0000     0.0880     0.9898     0.9381     0.0517
 15   0     6.1303     6.0000    -0.1303     4.0034     3.6836     0.3198
 16   0     6.1927     6.0000    -0.1927     3.9930     3.6750     0.3180
 17   0     6.1874     6.0000    -0.1874     3.9797     3.6596     0.3201
 18   0     6.1433     6.0000    -0.1433     3.9957     3.6811     0.3146
 19   0     6.2076     6.0000    -0.2076     4.0079     3.6787     0.3292
 20   0     0.9037     1.0000     0.0963     0.9863     0.9349     0.0514
 21   0     0.9205     1.0000     0.0795     0.9919     0.9380     0.0539
 22   0     0.9173     1.0000     0.0827     0.9869     0.9348     0.0521
 23   0     0.9139     1.0000     0.0861     0.9843     0.9341     0.0502
 24   0     0.9109     1.0000     0.0891     0.9840     0.9325     0.0515
 25   0     0.9148     1.0000     0.0852     0.9858     0.9358     0.0500
 26   0     0.9221     1.0000     0.0779     0.9839     0.9323     0.0516
 27   0     0.9075     1.0000     0.0925     0.9874     0.9390     0.0484
 28   0     0.9132     1.0000     0.0868     0.9844     0.9300     0.0544
 29   0     0.9137     1.0000     0.0863     0.9827     0.9295     0.0532
 30   0     6.2494     6.0000    -0.2494     3.9985     3.6589     0.3396
 31   0     6.1292     6.0000    -0.1292     4.0084     3.6900     0.3184
 32   0     6.2067     6.0000    -0.2067     4.0562     3.7299     0.3263
 33   0     6.1213     6.0000    -0.1213     4.0008     3.6868     0.3140
 34   0     6.1774     6.0000    -0.1774     4.0007     3.6758     0.3249
 35   0     0.9088     1.0000     0.0912     0.9807     0.9268     0.0539
 36   0     0.9088     1.0000     0.0912     0.9821     0.9277     0.0544
 37   0     0.9116     1.0000     0.0884     0.9917     0.9418     0.0499
 38   0     0.9063     1.0000     0.0937     0.9863     0.9356     0.0507
 39   0     0.9032     1.0000     0.0968     0.9848     0.9326     0.0522
 40   0     0.9087     1.0000     0.0913     0.9840     0.9326     0.0514
 41   0     0.9081     1.0000     0.0919     0.9842     0.9323     0.0519
 42   0     0.9228     1.0000     0.0772     0.9906     0.9395     0.0511
 43   0     0.9198     1.0000     0.0802     0.9890     0.9338     0.0552
 44   0     0.9147     1.0000     0.0853     0.9877     0.9363     0.0514
 45   0     6.1316     6.0000    -0.1316     3.9931     3.6742     0.3189
 46   0     6.1769     6.0000    -0.1769     3.9976     3.6817     0.3159
 47   0     6.1576     6.0000    -0.1576     3.9951     3.6763     0.3188
 48   0     6.1609     6.0000    -0.1609     3.9931     3.6782     0.3149
 49   0     6.2066     6.0000    -0.2066     4.0158     3.6863     0.3295
 50   0     0.9112     1.0000     0.0888     0.9852     0.9320     0.0532
 51   0     0.9314     1.0000     0.0686     1.0041     0.9505     0.0536
 52   0     0.9109     1.0000     0.0891     0.9883     0.9359     0.0524
 53   0     0.9197     1.0000     0.0803     0.9803     0.9267     0.0536
 54   0     0.9184     1.0000     0.0816     0.9847     0.9316     0.0531
 55   0     0.9230     1.0000     0.0770     0.9833     0.9291     0.0542
 56   0     0.9232     1.0000     0.0768     0.9836     0.9288     0.0548
 57   0     0.9162     1.0000     0.0838     0.9904     0.9424     0.0480
 58   0     0.8986     1.0000     0.1014     0.9844     0.9316     0.0528
 59   0     0.9152     1.0000     0.0848     0.9821     0.9260     0.0561
 60   0     6.1829     6.0000    -0.1829     4.0185     3.6888     0.3297
 61   0     6.1784     6.0000    -0.1784     3.9992     3.6754     0.3238
 62   0     6.1976     6.0000    -0.1976     3.9810     3.6620     0.3190
 63   0     6.1723     6.0000    -0.1723     3.9856     3.6693     0.3163
 64   0     6.1300     6.0000    -0.1300     4.0129     3.6958     0.3171
 65   0     0.9043     1.0000     0.0957     0.9816     0.9288     0.0528
 66   0     0.9169     1.0000     0.0831     0.9877     0.9329     0.0548
 67   0     0.8927     1.0000     0.1073     0.9792     0.9276     0.0516
 68   0     0.9213     1.0000     0.0787     0.9860     0.9314     0.0546
 69   0     0.9216     1.0000     0.0784     0.9883     0.9382     0.0501
 70   0     0.9179     1.0000     0.0821     0.9793     0.9237     0.0556
 71   0     0.9138     1.0000     0.0862     0.9819     0.9295     0.0524
 72   0     0.9216     1.0000     0.0784     0.9832     0.9312     0.0520
 73   0     0.9175     1.0000     0.0825     0.9876     0.9357     0.0519
 74   0     0.9100     1.0000     0.0900     0.9890     0.9372     0.0518
 75   0     6.1782     6.0000    -0.1782     3.9896     3.6699     0.3197
 76   0     6.1759     6.0000    -0.1759     3.9957     3.6726     0.3231
 77   0     6.1885     6.0000    -0.1885     4.0016     3.6732     0.3284
 78   0     6.1593     6.0000    -0.1593     3.9890     3.6703     0.3187
 79   0     6.1949     6.0000    -0.1949     4.0118     3.6917     0.3201
 80   0     0.9113     1.0000     0.0887     0.9830     0.9330     0.0500
 81   0     0.9139     1.0000     0.0861     0.9797     0.9253     0.0544
 82   0     0.9170     1.0000     0.0830     0.9839     0.9285     0.0554
 83   0     0.9002     1.0000     0.0998     0.9829     0.9329     0.0500
 84   0     0.9075     1.0000     0.0925     0.9850     0.9331     0.0519
 85   0     0.9044     1.0000     0.0956     0.9809     0.9287     0.0522
 86   0     0.9170     1.0000     0.0830     0.9833     0.9306     0.0527
 87   0     0.9099     1.0000     0.0901     0.9825     0.9306     0.0519
 88   0     0.9154     1.0000     0.0846     0.9815     0.9271     0.0544
 89   0     0.9065     1.0000     0.0935     0.9821     0.9303     0.0518
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.910471
                0             6               4            6                0.903308
                0             6               5            1                0.956085
                0             6               6            1                0.949833
                1             6               2            6                0.903159
                1             6               7            1                0.947371
                1             6               8            1                0.958793
                2             6               3            6                0.916318
                2             6               9            1                0.961213
                2             6              10            1                0.953479
                3             6               4            6                0.905190
                3             6              11            1                0.959603
                3             6              12            1                0.948132
                4             6              13            1                0.943145
                4             6              14            1                0.961330
               15             6              16            6                0.910724
               15             6              19            6                0.910276
               15             6              20            1                0.942871
               15             6              21            1                0.949663
               16             6              17            6                0.887399
               16             6              22            1                0.954461
               16             6              23            1                0.954314
               17             6              18            6                0.903672
               17             6              24            1                0.955047
               17             6              25            1                0.960775
               18             6              19            6                0.903109
               18             6              26            1                0.950905
               18             6              27            1                0.951953
               19             6              28            1                0.952152
               19             6              29            1                0.945933
               30             6              31            6                0.904353
               30             6              34            6                0.901489
               30             6              35            1                0.947930
               30             6              36            1                0.934172
               31             6              32            6                0.922118
               31             6              37            1                0.956924
               31             6              38            1                0.948922
               32             6              33            6                0.921262
               32             6              39            1                0.948444
               32             6              40            1                0.949775
               33             6              34            6                0.915966
               33             6              41            1                0.939822
               33             6              42            1                0.954466
               34             6              43            1                0.940806
               34             6              44            1                0.957179
               45             6              46            6                0.903681
               45             6              49            6                0.905530
               45             6              50            1                0.949110
               45             6              51            1                0.951684
               46             6              47            6                0.908402
               46             6              52            1                0.948312
               46             6              53            1                0.958537
               47             6              48            6                0.904907
               47             6              54            1                0.943406
               47             6              55            1                0.953617
               48             6              49            6                0.903900
               48             6              56            1                0.949016
               48             6              57            1                0.962883
               49             6              58            1                0.945485
               49             6              59            1                0.946818
               60             6              61            6                0.913134
               60             6              64            6                0.923487
               60             6              65            1                0.941532
               60             6              66            1                0.947673
               61             6              62            6                0.904269
               61             6              67            1                0.943099
               61             6              68            1                0.951448
               62             6              63            6                0.896711
               62             6              69            1                0.958623
               62             6              70            1                0.944580
               63             6              64            6                0.908758
               63             6              71            1                0.957129
               63             6              72            1                0.948735
               64             6              73            1                0.952138
               64             6              74            1                0.946603
               75             6              76            6                0.903575
               75             6              79            6                0.902026
               75             6              80            1                0.957445
               75             6              81            1                0.951276
               76             6              77            6                0.900019
               76             6              82            1                0.951948
               76             6              83            1                0.949546
               77             6              78            6                0.900955
               77             6              84            1                0.952752
               77             6              85            1                0.946006
               78             6              79            6                0.913786
               78             6              86            1                0.953088
               78             6              87            1                0.948326
               79             6              88            1                0.950144
               79             6              89            1                0.950763
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 3
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.1771     6.0000    -0.1771     3.9591     3.6389     0.3202
  1   0     6.1883     6.0000    -0.1883     3.9881     3.6781     0.3100
  2   0     6.2317     6.0000    -0.2317     4.0095     3.6962     0.3133
  3   0     6.1702     6.0000    -0.1702     3.9827     3.6734     0.3093
  4   0     6.2974     6.0000    -0.2974     4.0176     3.6842     0.3334
  5   0     0.9074     1.0000     0.0926     0.9894     0.9362     0.0532
  6   0     0.8890     1.0000     0.1110     0.9848     0.9328     0.0520
  7   0     0.8903     1.0000     0.1097     0.9798     0.9318     0.0480
  8   0     0.9245     1.0000     0.0755     0.9922     0.9388     0.0534
  9   0     0.8963     1.0000     0.1037     0.9894     0.9400     0.0494
 10   0     0.8842     1.0000     0.1158     0.9735     0.9228     0.0507
 11   0     0.8920     1.0000     0.1080     0.9873     0.9374     0.0499
 12   0     0.8856     1.0000     0.1144     0.9815     0.9316     0.0499
 13   0     0.8873     1.0000     0.1127     0.9742     0.9188     0.0554
 14   0     0.8855     1.0000     0.1145     0.9817     0.9313     0.0504
 15   0     6.1812     6.0000    -0.1812     3.9893     3.6735     0.3158
 16   0     6.2380     6.0000    -0.2380     3.9774     3.6635     0.3139
 17   0     6.2353     6.0000    -0.2353     3.9541     3.6379     0.3162
 18   0     6.2000     6.0000    -0.2000     3.9867     3.6761     0.3106
 19   0     6.2494     6.0000    -0.2494     3.9912     3.6665     0.3247
 20   0     0.8843     1.0000     0.1157     0.9798     0.9294     0.0504
 21   0     0.8949     1.0000     0.1051     0.9854     0.9327     0.0527
 22   0     0.8915     1.0000     0.1085     0.9783     0.9273     0.0510
 23   0     0.8892     1.0000     0.1108     0.9760     0.9268     0.0492
 24   0     0.8850     1.0000     0.1150     0.9769     0.9266     0.0503
 25   0     0.8894     1.0000     0.1106     0.9763     0.9274     0.0489
 26   0     0.8957     1.0000     0.1043     0.9794     0.9289     0.0505
 27   0     0.8847     1.0000     0.1153     0.9801     0.9328     0.0473
 28   0     0.8879     1.0000     0.1121     0.9766     0.9234     0.0532
 29   0     0.8914     1.0000     0.1086     0.9752     0.9230     0.0522
 30   0     6.2917     6.0000    -0.2917     3.9940     3.6594     0.3346
 31   0     6.1827     6.0000    -0.1827     4.0051     3.6907     0.3144
 32   0     6.2475     6.0000    -0.2475     4.0383     3.7161     0.3222
 33   0     6.1818     6.0000    -0.1818     3.9954     3.6854     0.3100
 34   0     6.2239     6.0000    -0.2239     3.9757     3.6553     0.3204
 35   0     0.8817     1.0000     0.1183     0.9718     0.9193     0.0525
 36   0     0.8852     1.0000     0.1148     0.9729     0.9196     0.0533
 37   0     0.8885     1.0000     0.1115     0.9821     0.9332     0.0489
 38   0     0.8844     1.0000     0.1156     0.9789     0.9291     0.0498
 39   0     0.8815     1.0000     0.1185     0.9762     0.9250     0.0512
 40   0     0.8860     1.0000     0.1140     0.9757     0.9253     0.0504
 41   0     0.8864     1.0000     0.1136     0.9776     0.9267     0.0509
 42   0     0.8940     1.0000     0.1060     0.9800     0.9301     0.0499
 43   0     0.8933     1.0000     0.1067     0.9837     0.9299     0.0538
 44   0     0.8880     1.0000     0.1120     0.9774     0.9272     0.0502
 45   0     6.1935     6.0000    -0.1935     3.9882     3.6733     0.3149
 46   0     6.2271     6.0000    -0.2271     3.9772     3.6656     0.3116
 47   0     6.2025     6.0000    -0.2025     3.9662     3.6516     0.3146
 48   0     6.2172     6.0000    -0.2172     3.9774     3.6667     0.3107
 49   0     6.2499     6.0000    -0.2499     4.0015     3.6764     0.3251
 50   0     0.8886     1.0000     0.1114     0.9761     0.9239     0.0522
 51   0     0.8987     1.0000     0.1013     0.9962     0.9440     0.0522
 52   0     0.8838     1.0000     0.1162     0.9829     0.9318     0.0511
 53   0     0.8942     1.0000     0.1058     0.9711     0.9185     0.0526
 54   0     0.8945     1.0000     0.1055     0.9790     0.9270     0.0520
 55   0     0.8990     1.0000     0.1010     0.9772     0.9240     0.0532
 56   0     0.8968     1.0000     0.1032     0.9757     0.9219     0.0538
 57   0     0.8883     1.0000     0.1117     0.9809     0.9341     0.0468
 58   0     0.8744     1.0000     0.1256     0.9767     0.9251     0.0516
 59   0     0.8909     1.0000     0.1091     0.9732     0.9181     0.0551
 60   0     6.2296     6.0000    -0.2296     4.0045     3.6790     0.3255
 61   0     6.2262     6.0000    -0.2262     3.9842     3.6647     0.3195
 62   0     6.2441     6.0000    -0.2441     3.9631     3.6485     0.3146
 63   0     6.2263     6.0000    -0.2263     3.9730     3.6610     0.3120
 64   0     6.1840     6.0000    -0.1840     3.9972     3.6842     0.3130
 65   0     0.8823     1.0000     0.1177     0.9753     0.9234     0.0519
 66   0     0.8925     1.0000     0.1075     0.9784     0.9247     0.0537
 67   0     0.8712     1.0000     0.1288     0.9734     0.9228     0.0506
 68   0     0.8938     1.0000     0.1062     0.9759     0.9224     0.0535
 69   0     0.8927     1.0000     0.1073     0.9790     0.9301     0.0489
 70   0     0.8930     1.0000     0.1070     0.9744     0.9200     0.0544
 71   0     0.8862     1.0000     0.1138     0.9739     0.9228     0.0511
 72   0     0.8965     1.0000     0.1035     0.9768     0.9259     0.0509
 73   0     0.8939     1.0000     0.1061     0.9802     0.9293     0.0509
 74   0     0.8871     1.0000     0.1129     0.9818     0.9310     0.0508
 75   0     6.2314     6.0000    -0.2314     3.9796     3.6640     0.3156
 76   0     6.2243     6.0000    -0.2243     3.9869     3.6678     0.3191
 77   0     6.2346     6.0000    -0.2346     3.9853     3.6608     0.3245
 78   0     6.2131     6.0000    -0.2131     3.9814     3.6667     0.3147
 79   0     6.2389     6.0000    -0.2389     3.9925     3.6765     0.3160
 80   0     0.8847     1.0000     0.1153     0.9730     0.9241     0.0489
 81   0     0.8886     1.0000     0.1114     0.9712     0.9179     0.0533
 82   0     0.8920     1.0000     0.1080     0.9771     0.9229     0.0542
 83   0     0.8785     1.0000     0.1215     0.9757     0.9267     0.0490
 84   0     0.8818     1.0000     0.1182     0.9760     0.9253     0.0507
 85   0     0.8823     1.0000     0.1177     0.9733     0.9221     0.0512
 86   0     0.8912     1.0000     0.1088     0.9763     0.9247     0.0516
 87   0     0.8863     1.0000     0.1137     0.9748     0.9239     0.0509
 88   0     0.8893     1.0000     0.1107     0.9725     0.9192     0.0533
 89   0     0.8825     1.0000     0.1175     0.9742     0.9234     0.0508
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.915719
                0             6               4            6                0.905453
                0             6               5            1                0.944985
                0             6               6            1                0.932175
                1             6               2            6                0.904093
                1             6               7            1                0.935211
                1             6               8            1                0.945657
                2             6               3            6                0.926183
                2             6               9            1                0.949578
                2             6              10            1                0.938355
                3             6               4            6                0.910060
                3             6              11            1                0.946997
                3             6              12            1                0.935103
                4             6              13            1                0.928587
                4             6              14            1                0.945796
               15             6              16            6                0.920748
               15             6              19            6                0.922106
               15             6              20            1                0.930487
               15             6              21            1                0.935549
               16             6              17            6                0.893841
               16             6              22            1                0.940618
               16             6              23            1                0.942009
               17             6              18            6                0.910718
               17             6              24            1                0.942787
               17             6              25            1                0.946887
               18             6              19            6                0.911930
               18             6              26            1                0.939841
               18             6              27            1                0.939798
               19             6              28            1                0.937219
               19             6              29            1                0.932079
               30             6              31            6                0.921084
               30             6              34            6                0.904499
               30             6              35            1                0.931338
               30             6              36            1                0.920685
               31             6              32            6                0.930169
               31             6              37            1                0.942435
               31             6              38            1                0.937608
               32             6              33            6                0.932156
               32             6              39            1                0.932644
               32             6              40            1                0.936641
               33             6              34            6                0.929357
               33             6              41            1                0.925732
               33             6              42            1                0.940844
               34             6              43            1                0.923342
               34             6              44            1                0.942767
               45             6              46            6                0.916529
               45             6              49            6                0.915860
               45             6              50            1                0.933093
               45             6              51            1                0.940658
               46             6              47            6                0.913803
               46             6              52            1                0.935349
               46             6              53            1                0.943218
               47             6              48            6                0.909167
               47             6              54            1                0.932318
               47             6              55            1                0.940952
               48             6              49            6                0.915742
               48             6              56            1                0.933522
               48             6              57            1                0.953411
               49             6              58            1                0.932055
               49             6              59            1                0.932488
               60             6              61            6                0.923408
               60             6              64            6                0.930385
               60             6              65            1                0.931018
               60             6              66            1                0.932059
               61             6              62            6                0.911769
               61             6              67            1                0.930575
               61             6              68            1                0.936799
               62             6              63            6                0.903089
               62             6              69            1                0.948759
               62             6              70            1                0.929817
               63             6              64            6                0.918627
               63             6              71            1                0.943822
               63             6              72            1                0.937038
               64             6              73            1                0.938327
               64             6              74            1                0.934714
               75             6              76            6                0.915955
               75             6              79            6                0.910158
               75             6              80            1                0.944587
               75             6              81            1                0.937208
               76             6              77            6                0.908329
               76             6              82            1                0.938637
               76             6              83            1                0.937328
               77             6              78            6                0.909585
               77             6              84            1                0.940643
               77             6              85            1                0.933712
               78             6              79            6                0.924943
               78             6              86            1                0.942041
               78             6              87            1                0.935392
               79             6              88            1                0.936180
               79             6              89            1                0.937744
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2119366750
        Correlation Energy:       -5.0644653720
        Total MP2 Energy:      -1176.2764020469
# -----------------------------------------------------------
$ SCF_Electric_Properties
   description: The SCF Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : MyMol.scfp 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2812083935
        Electronic Contribution:
                  0    
      0       0.217863
      1       0.426654
      2       0.695362
        Nuclear Contribution:
                  0    
      0      -0.297235
      1      -0.369536
      2      -0.747105
        Total Dipole moment:
                  0    
      0      -0.079372
      1       0.057118
      2      -0.051744
# -----------------------------------------------------------
$ MP2_Electric_Properties
   description: The MP2 Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : MyMol.pmp2ur 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2836074429
        Electronic Contribution:
                  0    
      0       0.217149
      1       0.426912
      2       0.694724
        Nuclear Contribution:
                  0    
      0      -0.297235
      1      -0.369536
      2      -0.747105
        Total Dipole moment:
                  0    
      0      -0.080086
      1       0.057376
      2      -0.052381
# -----------------------------------------------------------
$ MP2_Electric_Properties
   description: The MP2 Calculated Electric Properties
   geom. index: 1
   prop. index: 2
       Filename                          : MyMol.pmp2re 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.2907876461
        Electronic Contribution:
                  0    
      0       0.213834
      1       0.420820
      2       0.687926
        Nuclear Contribution:
                  0    
      0      -0.297235
      1      -0.369536
      2      -0.747105
        Total Dipole moment:
                  0    
      0      -0.083401
      1       0.051284
      2      -0.059179
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     21.610000000000   21.910000000000   15.970000000000
               1 C     20.740000000000   20.890000000000   16.650000000000
               2 C     20.920000000000   21.050000000000   18.150000000000
               3 C     21.930000000000   22.120000000000   18.420000000000
               4 C     22.450000000000   22.690000000000   17.070000000000
               5 H     21.030000000000   22.700000000000   15.480000000000
               6 H     22.230000000000   21.370000000000   15.240000000000
               7 H     20.870000000000   19.880000000000   16.350000000000
               8 H     19.780000000000   21.240000000000   16.390000000000
               9 H     21.290000000000   20.190000000000   18.620000000000
              10 H     19.940000000000   21.300000000000   18.580000000000
              11 H     22.800000000000   21.660000000000   18.820000000000
              12 H     21.530000000000   22.880000000000   19.080000000000
              13 H     23.570000000000   22.560000000000   16.820000000000
              14 H     22.320000000000   23.750000000000   16.920000000000
              15 C     19.430000000000   19.120000000000   13.150000000000
              16 C     20.150000000000   20.120000000000   12.240000000000
              17 C     21.630000000000   19.850000000000   12.520000000000
              18 C     21.870000000000   18.710000000000   13.530000000000
              19 C     20.500000000000   18.060000000000   13.600000000000
              20 H     18.550000000000   18.680000000000   12.640000000000
              21 H     19.160000000000   19.710000000000   14.040000000000
              22 H     20.000000000000   21.170000000000   12.470000000000
              23 H     19.910000000000   20.030000000000   11.200000000000
              24 H     22.140000000000   20.770000000000   12.760000000000
              25 H     22.030000000000   19.610000000000   11.580000000000
              26 H     22.060000000000   18.980000000000   14.560000000000
              27 H     22.610000000000   18.090000000000   13.110000000000
              28 H     20.420000000000   17.680000000000   14.660000000000
              29 H     20.460000000000   17.160000000000   12.950000000000
              30 C     17.850000000000   22.880000000000   16.570000000000
              31 C     16.410000000000   23.250000000000   16.990000000000
              32 C     15.920000000000   24.430000000000   16.030000000000
              33 C     17.140000000000   24.820000000000   15.190000000000
              34 C     17.990000000000   23.580000000000   15.150000000000
              35 H     17.950000000000   21.780000000000   16.430000000000
              36 H     18.660000000000   23.180000000000   17.310000000000
              37 H     16.400000000000   23.650000000000   17.970000000000
              38 H     15.730000000000   22.410000000000   16.890000000000
              39 H     15.530000000000   25.330000000000   16.550000000000
              40 H     15.120000000000   24.110000000000   15.360000000000
              41 H     17.790000000000   25.670000000000   15.470000000000
              42 H     16.810000000000   24.990000000000   14.190000000000
              43 H     19.090000000000   23.650000000000   14.910000000000
              44 H     17.620000000000   22.870000000000   14.440000000000
              45 C     18.470000000000   17.820000000000   18.990000000000
              46 C     18.730000000000   17.160000000000   20.310000000000
              47 C     17.710000000000   17.570000000000   21.320000000000
              48 C     16.810000000000   18.620000000000   20.670000000000
              49 C     17.140000000000   18.670000000000   19.180000000000
              50 H     18.400000000000   17.010000000000   18.220000000000
              51 H     19.270000000000   18.480000000000   18.670000000000
              52 H     19.760000000000   17.240000000000   20.670000000000
              53 H     18.550000000000   16.070000000000   20.240000000000
              54 H     18.190000000000   18.030000000000   22.210000000000
              55 H     17.030000000000   16.700000000000   21.560000000000
              56 H     16.990000000000   19.560000000000   21.260000000000
              57 H     15.840000000000   18.400000000000   20.890000000000
              58 H     17.160000000000   19.680000000000   18.710000000000
              59 H     16.250000000000   18.190000000000   18.640000000000
              60 C     24.030000000000   18.300000000000   23.060000000000
              61 C     22.520000000000   18.000000000000   22.770000000000
              62 C     22.160000000000   18.910000000000   21.610000000000
              63 C     23.290000000000   19.860000000000   21.320000000000
              64 C     24.380000000000   19.650000000000   22.320000000000
              65 H     24.740000000000   17.500000000000   22.730000000000
              66 H     24.120000000000   18.410000000000   24.180000000000
              67 H     21.770000000000   18.010000000000   23.590000000000
              68 H     22.510000000000   16.950000000000   22.400000000000
              69 H     21.310000000000   19.460000000000   21.880000000000
              70 H     21.890000000000   18.380000000000   20.640000000000
              71 H     22.900000000000   20.890000000000   21.410000000000
              72 H     23.610000000000   19.710000000000   20.290000000000
              73 H     24.300000000000   20.470000000000   23.040000000000
              74 H     25.390000000000   19.560000000000   21.880000000000
              75 C     23.380000000000   27.000000000000   17.560000000000
              76 C     23.470000000000   26.120000000000   18.790000000000
              77 C     24.860000000000   25.340000000000   18.680000000000
              78 C     25.420000000000   25.640000000000   17.240000000000
              79 C     24.580000000000   26.720000000000   16.610000000000
              80 H     23.350000000000   28.020000000000   17.800000000000
              81 H     22.360000000000   26.950000000000   17.090000000000
              82 H     22.570000000000   25.440000000000   18.740000000000
              83 H     23.320000000000   26.660000000000   19.710000000000
              84 H     24.760000000000   24.270000000000   18.820000000000
              85 H     25.640000000000   25.590000000000   19.420000000000
              86 H     25.340000000000   24.700000000000   16.690000000000
              87 H     26.490000000000   25.900000000000   17.300000000000
              88 H     24.220000000000   26.390000000000   15.600000000000
              89 H     25.180000000000   27.590000000000   16.320000000000
